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Compound Detail

CHEMBL1187735

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O=C1/C(=C/c2ccccc2)CN(C(=O)c2ccc(OCCN3CCCCC3)cc2)C/C1=C\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187735
Phase Preclinical
Structure Type MOL
InChI Key ICTAHJUWCPFEBJ-KBWMUOTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
5.74
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H34N2O3
MW 506.65
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine